; In this topology include file, you will find position restraint ; entries for all the heavy atoms in your original pdb file. ; This means that all the protons which were added by pdb2gmx are ; not restrained. [ position_restraints ] ; atom type fx fy fz 2 1 1000 1000 1000 5 1 1000 1000 1000 6 1 1000 1000 1000 7 1 1000 1000 1000 9 1 1000 1000 1000 11 1 1000 1000 1000 15 1 1000 1000 1000 16 1 1000 1000 1000 17 1 1000 1000 1000 19 1 1000 1000 1000